1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine

C9H17NO — CID 116722148

IUPAC1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine
SMILESC=CC(NC)C(OC)C1CC1
InChIInChI=1S/C9H17NO/c1-4-8(10-2)9(11-3)7-5-6-7/h4,7-10H,1,5-6H2,2-3H3
InChIKeyRMKCXZIBAPSEQK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds5

About 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine

1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine (PubChem CID 116722148) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine
PubChem CID116722148
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine
SMILESC=CC(NC)C(OC)C1CC1
InChIInChI=1S/C9H17NO/c1-4-8(10-2)9(11-3)7-5-6-7/h4,7-10H,1,5-6H2,2-3H3
InChIKeyRMKCXZIBAPSEQK-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N,5-dimethylhex-1-en-3-amine
CID 116719913
1-cyclopropyl-3-ethoxy-1-methoxy-N-methylpropan-2-amine
CID 116722158
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
2-cyclopropyl-2-methoxy-N-methyl-1-thiophen-3-ylethanamine
CID 116722222
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918
4-cyclopropyl-N-ethylpent-1-en-3-amine
CID 105000769
1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine
CID 116722432
1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722168
1-cyclobutyl-2-cyclopropyl-2-methoxyethanamine
CID 116722033
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine (CID 116722148) is 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine is C=CC(NC)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine?
The InChIKey is RMKCXZIBAPSEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8(10-2)9(11-3)7-5-6-7/h4,7-10H,1,5-6H2,2-3H3.
What are the key properties of 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine?
1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine is sourced from PubChem (CID 116722148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).